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Complex #5435 — Ir(3) [Ir5]

2D Structure

Structure
⬇ MOL V3000

Info

ID5435
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 3}
AbbreviationIr5
SMILESC[n+]1nn(-c2ccccc2)[c-]c1-c1ccccn1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]

TUCAN

C24H27IrN4/(1-28)(2-28)(3-28)(4-29)(5-29)(6-29)(7-30)(8-30)(9-30)(10-31)(11-36)(12-38)(13-39)(14-37)(15-46)(16-40)(17-46)(18-46)(19-35)(20-31)(21-31)(22-33)(23-32)(24-32)(25-48)(26-32)(27-34)(28-41)(29-42)(30-43)(31-44)(32-45)(33-34)(33-48)(34-35)(35-49)(36-38)(36-51)(37-40)(37-51)(38-39)(39-40)(41-42)(41-43)(42-44)(43-45)(44-45)(46-53)(47-50)(47-52)(48-54)(49-50)(49-54)(50-53)(51-52)(52-55)(53-55)(54-56)(55-56)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
NCI-H4606— 10.1021/acs.organomet.9b00327 2019
HCT-1166.5— 10.1021/acs.organomet.9b00327 2019
HeLa7.3— 10.1021/acs.organomet.9b00327 2019
MES-OV7.6— 10.1021/acs.organomet.9b00327 2019
HEp-213— 10.1021/acs.organomet.9b00327 2019

Source-assisted 2D generator

Builds the drawing from source ligand graphs and explicit donor metadata, then uses Metal2D only for layout. Publication output uses black bonds without arrows or colour highlighting; validated octahedral enantiomers are encoded directly with solid and hashed wedge bonds.

experimental validation surface
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